796851-83-7

Basic information

• Product Name: Benzoic acid, 2-(2-ethoxy-2-oxoethoxy)-5-fluoro-, methyl ester
• CAS NO: 796851-83-7
• Molecular Formula: C12H13FO5
• Molecular Weight: 256.231
• Mol File: 796851-83-7.mol
• Article Data: 4

Chemical Properties

• CAS DataBase Reference: Benzoic acid, 2-(2-ethoxy-2-oxoethoxy)-5-fluoro-, methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Benzoic acid, 2-(2-ethoxy-2-oxoethoxy)-5-fluoro-, methyl ester(796851-83-7)
• EPA Substance Registry System: Benzoic acid, 2-(2-ethoxy-2-oxoethoxy)-5-fluoro-, methyl ester(796851-83-7)

Safety Data

• Hazardous Substances Data: 796851-83-7(Hazardous Substances Data)

Upstream product

• 391-92-4 methyl 5-fluoro-2-hydroxybenzoate 
• 105-36-2 ethyl bromoacetate 

Downstream Products

• 60770-49-2 5-fluoro-2,3-dihydro-1-benzofuran-3-one 
• 60770-24-3 2-(carboxymethoxy)-5-fluorobenzoic acid 

Relevant articles and documents

Virtual screening-driven discovery of dual 5-HT6/5-HT2A receptor ligands with pro-cognitive properties

A virtual screening campaign aimed at finding structurally new compounds active at 5-HT6R provided a set of candidates. Among those, one structure, 4-(5-{[(2-{5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl}ethyl)amino]methyl}furan-2-yl)phenol (1, 5-HT6R Ki = 91 nM), was selected as a hit for further optimization. As expected, the chemical scaffold of selected compound was significantly different from all the serotonin receptor ligands published to date. Synthetic efforts, supported by molecular modelling, provided 43 compounds representing different substitution patterns. The derivative 42, 4-(5-{[(2-{5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl}ethyl)amino]methyl}furan-2-yl)phenol (5-HT6R Ki = 25, 5-HT2AR Ki = 32 nM), was selected as a lead and showed a good brain/plasma concentration profile, and it reversed phencyclidine-induced memory impairment. Considering the unique activity profile, the obtained series might be a good starting point for the development of a novel antipsychotic or antidepressant with pro-cognitive properties.

Piperidinyl indole and tetrohydropyridinyl indole derivatives and method of their use

3-Piperidin-4-yl-1H-indole and 3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indole derivatives are disclosed. Methods of using the derivatives and compositions containing the derivatives in the prevention and/or treatment of serotonin disorders, such as depression and anxiety, are also disclosed. Additionally, processes for the preparation of 3-piperidin-4-yl-1H-indole and 3-(1,2,3,6-tetrahydro-pyridin-4-yl)-1H-indole derivatives are disclosed.